CID 136072234

3-(methoxymethyl)-4,5-dihydro-1,2,4-oxadiazol-5-one

Structural Information

Molecular Formula
C4H6N2O3
SMILES
COCC1=NOC(=O)N1
InChI
InChI=1S/C4H6N2O3/c1-8-2-3-5-4(7)9-6-3/h2H2,1H3,(H,5,6,7)
InChIKey
RVSUCFJJODWCJV-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

130.03784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.045116 120.0
[M+Na]+ 153.027058 130.1
[M-H]- 129.030564 120.8
[M+NH4]+ 148.071663 139.3
[M+K]+ 169.000998 130.4
[M+H-H2O]+ 113.035100 113.8
[M+HCOO]- 175.036041 142.7
[M+CH3COO]- 189.051691 165.4
[M+Na-2H]- 151.012506 128.0
[M]+ 130.03729142 122.5
[M]- 130.03838858 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe